[2-[bis[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[bis[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-[bis[(1R)-1-methylpropyl]amino]-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-[bis[(2R)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[bis[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-[bis[(1R)-1-methylpropyl]amino]-2-keto-ethyl] ester Formula: C17H25ClN2O5S MolecularWeight: 404.9088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

Isomeric SMILES

CC[C@@H](C)N([C@H](C)CC)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N

InChI

InChI=1S/C17H25ClN2O5S/c1-5-11(3)20(12(4)6-2)16(21)10-25-17(22)13-7-8-14(18)15(9-13)26(19,23)24/h7-9,11-12H,5-6,10H2,1-4H3,(H2,19,23,24)/t11-,12-/m1/s1